tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate

C11H23N3O3 — CID 50945788

IUPACtert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)NN
InChIInChI=1S/C11H23N3O3/c1-6-7(2)8(9(15)14-12)13-10(16)17-11(3,4)5/h7-8H,6,12H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyLIRUNLCZYYYSDX-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.92
Rot. Bonds4

About tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate

tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate (PubChem CID 50945788) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate
PubChem CID50945788
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Nametert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)NN
InChIInChI=1S/C11H23N3O3/c1-6-7(2)8(9(15)14-12)13-10(16)17-11(3,4)5/h7-8H,6,12H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyLIRUNLCZYYYSDX-UHFFFAOYSA-N
XLogP0.92
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-3-methyl-2-[[(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoate
CID 95560766
3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446127
ethyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 12807306
iodomethyl (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 23387582
tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 89203370
(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 87795968
tert-butyl N-(1-bromo-3-methyl-1-oxopentan-2-yl)carbamate
CID 175054407
tert-butyl N-[1-(2-methoxyethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 110407612
tert-butyl N-[3-methyl-1-(2-methylsulfonylethylamino)-1-oxopentan-2-yl]carbamate
CID 110612488
tert-butyl N-[(2S)-1-(but-3-enylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 121448498
tert-butyl N-(1-amino-1-imino-3-methylpentan-2-yl)carbamate;hydrochloride
CID 137320121
ditert-butyl (3S)-2-(hydrazinecarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 101260151

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate (CID 50945788) is tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate is CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NN.
What is the InChIKey of tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate?
The InChIKey is LIRUNLCZYYYSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-6-7(2)8(9(15)14-12)13-10(16)17-11(3,4)5/h7-8H,6,12H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate?
tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate has a molecular weight of 245.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate is sourced from PubChem (CID 50945788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).